ethyl 5-azido-3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzofuran-1-carboxylate

Systemtic Name: ethyl 5-azido-3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzofuran-1-carboxylate Openeye Name: ethyl 5-azido-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-isobenzofuran-1-carboxylate CAS Name: 5-azido-3-(methylthio)-4-oxo-6,7-dihydro-5H-isobenzofuran-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-azido-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzofuran-1-carboxylate Traditional Name: 5-azido-4-keto-3-(methylthio)-6,7-dihydro-5H-isobenzofuran-1-carboxylic acid ethyl ester Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC(C(=O)C2=C(O1)SC)N=[N+]=[N-]

Isomeric SMILES

CCOC(=O)C1=C2CCC(C(=O)C2=C(O1)SC)N=[N+]=[N-]

InChI

InChI=1S/C12H13N3O4S/c1-3-18-11(17)10-6-4-5-7(14-15-13)9(16)8(6)12(19-10)20-2/h7H,3-5H2,1-2H3